4'-tert-Butyl[1,1'-biphenyl]-4-carboxylic acid

Base Information

• Chemical Name: 4'-tert-Butyl[1,1'-biphenyl]-4-carboxylic acid
• CAS No.: 5748-42-5
• Molecular Formula: C17H18O2
• Molecular Weight: 254.329
• Hs Code.: 2916399090
• Mol file: 5748-42-5.mol

Synonyms:4-Biphenylcarboxylicacid, 4'-tert-butyl- (7CI,8CI);4'-tert-Butylbiphenyl-4-carboxylic acid;[1,1'-biphenyl]-4-carboxylic acid, 4'-(1,1-dimethylethyl)-;4'-tert-Butyl[1,1'-biphenyl]-4-carboxylic acid;Biphenyl-4-carboxylic acid, 4'-(1,1-dimethylethyl)-;

Chemical Property of 4'-tert-Butyl[1,1'-biphenyl]-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 7.07E-07mmHg at 25°C
• Melting Point: 270?°C (dec.)(lit.)
• Refractive Index: 1.564
• Boiling Point: 392.9 °C at 760 mmHg
• PKA: 4.22±0.10(Predicted)
• Flash Point: 185.4 °C
• PSA: 37.30000
• Density: 1.087 g/cm³
• LogP: 4.34930
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: very faint turbidity in THF

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(4-T-butylphenyl)benzoicacid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4'-tert-Butyl[1,1'-biphenyl]-4-carboxylic acid

There total 7 articles about 4'-tert-Butyl[1,1'-biphenyl]-4-carboxylic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

1-(4'-(tert-butyl)-[1,1'-biphenyl]-4-yl)ethan-1-one (5748-39-0) → 4-(4-tert-butylphenyl)benzoic acid (5748-42-5)

Guidance literature:

With sodium hypobromide; In 1,4-dioxane;

DOI:10.1039/j39660000840

Reference yield:

4-Bromobenzoic acid (586-76-5) + p-tert-butylphenylboronic acid (123324-71-0) → 4-(4-tert-butylphenyl)benzoic acid (5748-42-5)

Guidance literature:

With dmap; tetrakis(triphenylphosphine) palladium⁽⁰⁾; dicyclohexyl-carbodiimide; trifluoroacetic acid; Wang resin; Multistep reaction;

DOI:10.1021/jm9703404

Reference yield:

biphenyl (92-52-4,1594-86-1) → 4-(4-tert-butylphenyl)benzoic acid (5748-42-5)

Guidance literature:

Multi-step reaction with 3 steps

1: FeCl₃ / CS₂

2: AlCl₃ / nitrobenzene

3: aq. NaOBr / dioxane

With aluminium trichloride; sodium hypobromide; iron(III) chloride; In 1,4-dioxane; carbon disulfide; nitrobenzene;

DOI:10.1039/j39660000840

upstream raw materials:

carbon dioxide

1-p-biphenylyl-2-chloro-2-methylpropane

2-p-biphenylyl-1-chloro-2-methylpropane

1-(4'-(tert-butyl)-[1,1'-biphenyl]-4-yl)ethan-1-one

Downstream raw materials:

2-(4'-tert-butylbiphenyl-4-yl)benzo[d]thiazole

C₆₀H₉₄BN₇O₁₂

Refernces

• 1、 Hajduk, Philip J.,Dinges, Jürgen,Miknis, Gregory F.,Merlock, Megan,Middleton, Tim,Kempf, Dale J.,Egan, David A.,Walter, Karl A.,Robins, Terry S.,Shuker, Suzy B.,Holzman, Thomas F.,Fesik, Stephen W.. "NMR-based discovery of lead inhibitors that block DNA binding of the human papillomavirus E2 protein". . p. 3144 - 3150. Retrieved 2007/10/03.